4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol

C15H19BrN2O — CID 112618657

IUPAC4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
SMILESCC(C)(N)C(CCO)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O/c1-15(2,17)12(7-9-19)10-5-6-13(16)11-4-3-8-18-14(10)11/h3-6,8,12,19H,7,9,17H2,1-2H3
InChIKeyVFGPVNDNUKWNNA-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.20
Rot. Bonds4

About 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol

4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol (PubChem CID 112618657) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
PubChem CID112618657
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
SMILESCC(C)(N)C(CCO)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O/c1-15(2,17)12(7-9-19)10-5-6-13(16)11-4-3-8-18-14(10)11/h3-6,8,12,19H,7,9,17H2,1-2H3
InChIKeyVFGPVNDNUKWNNA-UHFFFAOYSA-N
XLogP3.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
CID 112618658
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
CID 112618176
3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide
CID 112618609
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 115959866
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
CID 115968214
1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
CID 115959968
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
CID 112618353
3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
CID 115960567
5-bromo-8-ethoxyquinoline
CID 100612531

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol?
The IUPAC name of 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol (CID 112618657) is 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol?
The canonical SMILES for 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol is CC(C)(N)C(CCO)c1ccc(Br)c2cccnc12.
What is the InChIKey of 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol?
The InChIKey is VFGPVNDNUKWNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-15(2,17)12(7-9-19)10-5-6-13(16)11-4-3-8-18-14(10)11/h3-6,8,12,19H,7,9,17H2,1-2H3.
What are the key properties of 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol?
4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol has a molecular weight of 323.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 112618657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).